CID 16205045

27969-85-3

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

C1=CC(=O)NC(=C1N)O

InChI

InChI=1S/C5H6N2O2/c6-3-1-2-4(8)7-5(3)9/h1-2H,6H2,(H2,7,8,9)

InChIKey

NDTRUILHKVKGFL-UHFFFAOYSA-N

Compound name

5-amino-6-hydroxy-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 126.04293 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	127.050206	121.1
[M+Na]+	149.032148	130.6
[M-H]-	125.035654	121.2
[M+NH4]+	144.076753	140.4
[M+K]+	165.006088	127.7
[M+H-H2O]+	109.040190	115.6
[M+HCOO]-	171.041131	143.7
[M+CH3COO]-	185.056781	166.5
[M+Na-2H]-	147.017596	128.2
[M]+	126.04238142	117.4
[M]-	126.04347858	117.4

Literature stripe

literature stripe

Patent stripe

patents stripe